[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-homoveratryl-methyl-ammonium Formula: C23H35N2O3+ MolecularWeight: 387.5356

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H34N2O3/c1-25(7-6-16-4-5-20(27-2)21(11-16)28-3)15-22(26)24-23-12-17-8-18(13-23)10-19(9-17)14-23/h4-5,11,17-19H,6-10,12-15H2,1-3H3,(H,24,26)/p+1